Information card for entry 4334764

Structure parameters

• Formula: C40 H40 F42 O17 Zn8
• Calculated formula: C40 H40 F42 O17 Zn8
• SMILES: C1([O]2[Zn]3([O]4(CC)[Zn]567[O]89[Zn]%10%11%12[O](C(C(C(C(F)(F)F)(F)F)(F)F)=[O]7)[Zn]7([O]%13(CC)[Zn]8([O]=1)([O](C(C(C(C(F)(F)F)(F)F)(F)F)=[O][Zn]29(OC(=[O]%12)C(C(C(F)(F)F)(F)F)(F)F)[O]3(CC)[Zn]4([O]6C(C(C(C(F)(F)F)(F)F)(F)F)=[O]%11)CC)[Zn]%13([O]%107CC)CC)[O]=C(O5)C(C(C(F)(F)F)(F)F)(F)F)CC)CC)C(C(C(F)(F)F)(F)F)(F)F
• Title of publication: Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry
• Authors of publication: A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5515 - 5526
• a: 13.26 ± 0.002 Å
• b: 13.903 ± 0.002 Å
• c: 18.434 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3398.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No